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PubMed code 1331451

Compile data set for download or QSAR
Found 64 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001456
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C46H66N10O10/c1-5-7-14-33(51-41(61)32(47)21-29-16-18-31(57)19-17-29)43(63)55-37(22-28-12-10-9-11-13-28)45(65)56-38(23-30-25-49-26-50-30)46(66)54-36(20-27(3)4)44(64)52-34(15-8-6-2)42(62)53-35(40(48)60)24-39(58)59/h9-13,16-19,25-27,32-38,57H,5-8,14-15,20-24,47H2,1-4H3,(H2,48,60)(H,49,50)(H,51,61)(H,52,64)(H,53,62)(H,54,66)(H,55,63)(H,56,65)(H,58,59)/t32-,33+,34-,35-,36-,37-,38-/m0/s1
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0.665n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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1.44n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to opioid receptor delta from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000518
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000518
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
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2.13n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to opioid receptor delta from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001463
PNG
(14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34(40(58)45-22-32(43)52)50-41(59)35(24(3)4)49-38(56)30-17-18-33(53)44-19-9-8-12-29(46-36(54)28(42)20-26-13-15-27(51)16-14-26)37(55)48-31(39(57)47-30)21-25-10-6-5-7-11-25/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,52)(H,44,53)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)/t28-,29+,30-,31-,34-,35-/m0/s1
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3.66n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001462
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H52N8O10/c1-19(2)30(35(54)41-18-28(40)48)45-36(55)31(20(3)4)44-34(53)27(15-29(49)50)43-37(56)38(16-23-8-6-7-9-24(23)17-38)46-32(51)21(5)42-33(52)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-27,30-31,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t21-,26+,27+,30+,31+/m1/s1
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4.96n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to Opioid receptor delta 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001459
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10/c1-20(2)31(36(55)42-19-29(41)49)46-37(56)32(21(3)4)45-35(54)28(17-30(50)51)44-38(57)39(15-14-24-8-6-7-9-25(24)18-39)47-33(52)22(5)43-34(53)27(40)16-23-10-12-26(48)13-11-23/h6-13,20-22,27-28,31-32,48H,14-19,40H2,1-5H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,57)(H,45,54)(H,46,56)(H,47,52)(H,50,51)/t22-,27+,28+,31+,32+,39?/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to Opioid receptor delta 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001458
PNG
(3-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H56N8O10/c1-24(2)37(42(60)47-22-35(46)54)51-43(61)38(25(3)4)50-40(58)33(21-36(55)56)48-39(57)32(19-26-10-6-5-7-11-26)49-41(59)34-20-28-12-8-9-13-29(28)23-52(34)44(62)31(45)18-27-14-16-30(53)17-15-27/h5-17,24-25,31-34,37-38,53H,18-23,45H2,1-4H3,(H2,46,54)(H,47,60)(H,48,57)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/t31-,32-,33-,34-,37-,38-/m0/s1
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6.49n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to Opioid receptor delta 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001459
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10/c1-20(2)31(36(55)42-19-29(41)49)46-37(56)32(21(3)4)45-35(54)28(17-30(50)51)44-38(57)39(15-14-24-8-6-7-9-25(24)18-39)47-33(52)22(5)43-34(53)27(40)16-23-10-12-26(48)13-11-23/h6-13,20-22,27-28,31-32,48H,14-19,40H2,1-5H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,57)(H,45,54)(H,46,56)(H,47,52)(H,50,51)/t22-,27+,28+,31+,32+,39?/m1/s1
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6.52n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to opioid receptor delta from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001466
PNG
(3-[2-(2-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C53H66N8O10/c1-4-5-20-40(48(66)57-41(47(55)65)30-46(63)64)56-49(67)42(25-32(2)3)58-50(68)43(27-33-14-8-6-9-15-33)59-51(69)44(28-34-16-10-7-11-17-34)60-52(70)45-29-36-18-12-13-19-37(36)31-61(45)53(71)39(54)26-35-21-23-38(62)24-22-35/h6-19,21-24,32,39-45,62H,4-5,20,25-31,54H2,1-3H3,(H2,55,65)(H,56,67)(H,57,66)(H,58,68)(H,59,69)(H,60,70)(H,63,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1
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8.27n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to Opioid receptor delta 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to opioid receptor mu from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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10.4n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001463
PNG
(14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34(40(58)45-22-32(43)52)50-41(59)35(24(3)4)49-38(56)30-17-18-33(53)44-19-9-8-12-29(46-36(54)28(42)20-26-13-15-27(51)16-14-26)37(55)48-31(39(57)47-30)21-25-10-6-5-7-11-25/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,52)(H,44,53)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)/t28-,29+,30-,31-,34-,35-/m0/s1
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17.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001464
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26-,27+,30+,31+/m1/s1
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67.2n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to Opioid receptor delta 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001456
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C46H66N10O10/c1-5-7-14-33(51-41(61)32(47)21-29-16-18-31(57)19-17-29)43(63)55-37(22-28-12-10-9-11-13-28)45(65)56-38(23-30-25-49-26-50-30)46(66)54-36(20-27(3)4)44(64)52-34(15-8-6-2)42(62)53-35(40(48)60)24-39(58)59/h9-13,16-19,25-27,32-38,57H,5-8,14-15,20-24,47H2,1-4H3,(H2,48,60)(H,49,50)(H,51,61)(H,52,64)(H,53,62)(H,54,66)(H,55,63)(H,56,65)(H,58,59)/t32-,33+,34-,35-,36-,37-,38-/m0/s1
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117n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000518
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
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143n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000518
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
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143n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001462
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H52N8O10/c1-19(2)30(35(54)41-18-28(40)48)45-36(55)31(20(3)4)44-34(53)27(15-29(49)50)43-37(56)38(16-23-8-6-7-9-24(23)17-38)46-32(51)21(5)42-33(52)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-27,30-31,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t21-,26+,27+,30+,31+/m1/s1
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207n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001461
PNG
(CHEMBL338466 | {23-[2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CC[C@@H](NC(=O)[C@H](NC1=O)C(C)C)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C43H61N9O11/c1-23(2)35-42(62)47-29(37(45)57)17-18-33(54)46-19-9-8-12-30(48-38(58)28(44)20-26-13-15-27(53)16-14-26)39(59)49-31(21-25-10-6-5-7-11-25)40(60)50-32(22-34(55)56)41(61)51-36(24(3)4)43(63)52-35/h5-7,10-11,13-16,23-24,28-32,35-36,53H,8-9,12,17-22,44H2,1-4H3,(H2,45,57)(H,46,54)(H,47,62)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,55,56)/t28-,29+,30+,31-,32+,35+,36-/m0/s1
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248n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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262n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to opioid receptor mu from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001469
PNG
(15-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C40H57N9O9/c1-21(2)32-39(57)45-28(34(42)52)12-9-17-43-31(51)20-30(38(56)48-33(22(3)4)40(58)49-32)47-37(55)29(19-24-10-7-6-8-11-24)46-35(53)23(5)44-36(54)27(41)18-25-13-15-26(50)16-14-25/h6-8,10-11,13-16,21-23,27-30,32-33,50H,9,12,17-20,41H2,1-5H3,(H2,42,52)(H,43,51)(H,44,54)(H,45,57)(H,46,53)(H,47,55)(H,48,56)(H,49,58)/t23-,27+,28-,29+,30+,32-,33+/m1/s1
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338n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001469
PNG
(15-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C40H57N9O9/c1-21(2)32-39(57)45-28(34(42)52)12-9-17-43-31(51)20-30(38(56)48-33(22(3)4)40(58)49-32)47-37(55)29(19-24-10-7-6-8-11-24)46-35(53)23(5)44-36(54)27(41)18-25-13-15-26(50)16-14-25/h6-8,10-11,13-16,21-23,27-30,32-33,50H,9,12,17-20,41H2,1-5H3,(H2,42,52)(H,43,51)(H,44,54)(H,45,57)(H,46,53)(H,47,55)(H,48,56)(H,49,58)/t23-,27+,28-,29+,30+,32-,33+/m1/s1
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562n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001459
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10/c1-20(2)31(36(55)42-19-29(41)49)46-37(56)32(21(3)4)45-35(54)28(17-30(50)51)44-38(57)39(15-14-24-8-6-7-9-25(24)18-39)47-33(52)22(5)43-34(53)27(40)16-23-10-12-26(48)13-11-23/h6-13,20-22,27-28,31-32,48H,14-19,40H2,1-5H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,57)(H,45,54)(H,46,56)(H,47,52)(H,50,51)/t22-,27+,28+,31+,32+,39?/m1/s1
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671n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001459
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10/c1-20(2)31(36(55)42-19-29(41)49)46-37(56)32(21(3)4)45-35(54)28(17-30(50)51)44-38(57)39(15-14-24-8-6-7-9-25(24)18-39)47-33(52)22(5)43-34(53)27(40)16-23-10-12-26(48)13-11-23/h6-13,20-22,27-28,31-32,48H,14-19,40H2,1-5H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,57)(H,45,54)(H,46,56)(H,47,52)(H,50,51)/t22-,27+,28+,31+,32+,39?/m1/s1
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671n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001457
PNG
(17-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34-40(58)47-29(36(43)54)12-8-9-19-44-32(52)18-17-30(38(56)49-35(24(3)4)41(59)50-34)48-39(57)31(21-25-10-6-5-7-11-25)46-33(53)22-45-37(55)28(42)20-26-13-15-27(51)16-14-26/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,58)(H,48,57)(H,49,56)(H,50,59)/t28-,29-,30+,31-,34-,35+/m0/s1
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724n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001461
PNG
(CHEMBL338466 | {23-[2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CC[C@@H](NC(=O)[C@H](NC1=O)C(C)C)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C43H61N9O11/c1-23(2)35-42(62)47-29(37(45)57)17-18-33(54)46-19-9-8-12-30(48-38(58)28(44)20-26-13-15-27(53)16-14-26)39(59)49-31(21-25-10-6-5-7-11-25)40(60)50-32(22-34(55)56)41(61)51-36(24(3)4)43(63)52-35/h5-7,10-11,13-16,23-24,28-32,35-36,53H,8-9,12,17-22,44H2,1-4H3,(H2,45,57)(H,46,54)(H,47,62)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,55,56)/t28-,29+,30+,31-,32+,35+,36-/m0/s1
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891n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001457
PNG
(17-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34-40(58)47-29(36(43)54)12-8-9-19-44-32(52)18-17-30(38(56)49-35(24(3)4)41(59)50-34)48-39(57)31(21-25-10-6-5-7-11-25)46-33(53)22-45-37(55)28(42)20-26-13-15-27(51)16-14-26/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,58)(H,48,57)(H,49,56)(H,50,59)/t28-,29-,30+,31-,34-,35+/m0/s1
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955n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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2.22E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001466
PNG
(3-[2-(2-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C53H66N8O10/c1-4-5-20-40(48(66)57-41(47(55)65)30-46(63)64)56-49(67)42(25-32(2)3)58-50(68)43(27-33-14-8-6-9-15-33)59-51(69)44(28-34-16-10-7-11-17-34)60-52(70)45-29-36-18-12-13-19-37(36)31-61(45)53(71)39(54)26-35-21-23-38(62)24-22-35/h6-19,21-24,32,39-45,62H,4-5,20,25-31,54H2,1-3H3,(H2,55,65)(H,56,67)(H,57,66)(H,58,68)(H,59,69)(H,60,70)(H,63,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1
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4.15E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001460
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H52N8O10/c1-19(2)31(36(54)41-17-29(40)48)45-37(55)32(20(3)4)44-34(52)27(16-30(49)50)43-35(53)28-15-23-8-6-7-9-24(23)18-46(28)38(56)21(5)42-33(51)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-28,31-32,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,51)(H,43,53)(H,44,52)(H,45,55)(H,49,50)/t21-,26+,27+,28+,31+,32+/m1/s1
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4.96E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001464
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26-,27+,30+,31+/m1/s1
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8.65E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001458
PNG
(3-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H56N8O10/c1-24(2)37(42(60)47-22-35(46)54)51-43(61)38(25(3)4)50-40(58)33(21-36(55)56)48-39(57)32(19-26-10-6-5-7-11-26)49-41(59)34-20-28-12-8-9-13-29(28)23-52(34)44(62)31(45)18-27-14-16-30(53)17-15-27/h5-17,24-25,31-34,37-38,53H,18-23,45H2,1-4H3,(H2,46,54)(H,47,60)(H,48,57)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/t31-,32-,33-,34-,37-,38-/m0/s1
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9.23E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001460
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H52N8O10/c1-19(2)31(36(54)41-17-29(40)48)45-37(55)32(20(3)4)44-34(52)27(16-30(49)50)43-35(53)28-15-23-8-6-7-9-24(23)18-46(28)38(56)21(5)42-33(51)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-28,31-32,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,51)(H,43,53)(H,44,52)(H,45,55)(H,49,50)/t21-,26+,27+,28+,31+,32+/m1/s1
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1.52E+4n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001462
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H52N8O10/c1-19(2)30(35(54)41-18-28(40)48)45-36(55)31(20(3)4)44-34(53)27(15-29(49)50)43-37(56)38(16-23-8-6-7-9-24(23)17-38)46-32(51)21(5)42-33(52)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-27,30-31,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t21-,26+,27+,30+,31+/m1/s1
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n/an/a 0.0803n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 0.147n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001459
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10/c1-20(2)31(36(55)42-19-29(41)49)46-37(56)32(21(3)4)45-35(54)28(17-30(50)51)44-38(57)39(15-14-24-8-6-7-9-25(24)18-39)47-33(52)22(5)43-34(53)27(40)16-23-10-12-26(48)13-11-23/h6-13,20-22,27-28,31-32,48H,14-19,40H2,1-5H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,57)(H,45,54)(H,46,56)(H,47,52)(H,50,51)/t22-,27+,28+,31+,32+,39?/m1/s1
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n/an/a 0.163n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001463
PNG
(14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34(40(58)45-22-32(43)52)50-41(59)35(24(3)4)49-38(56)30-17-18-33(53)44-19-9-8-12-29(46-36(54)28(42)20-26-13-15-27(51)16-14-26)37(55)48-31(39(57)47-30)21-25-10-6-5-7-11-25/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,52)(H,44,53)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)/t28-,29+,30-,31-,34-,35-/m0/s1
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n/an/a 0.467n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000518
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
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n/an/a 0.695n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001456
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C46H66N10O10/c1-5-7-14-33(51-41(61)32(47)21-29-16-18-31(57)19-17-29)43(63)55-37(22-28-12-10-9-11-13-28)45(65)56-38(23-30-25-49-26-50-30)46(66)54-36(20-27(3)4)44(64)52-34(15-8-6-2)42(62)53-35(40(48)60)24-39(58)59/h9-13,16-19,25-27,32-38,57H,5-8,14-15,20-24,47H2,1-4H3,(H2,48,60)(H,49,50)(H,51,61)(H,52,64)(H,53,62)(H,54,66)(H,55,63)(H,56,65)(H,58,59)/t32-,33+,34-,35-,36-,37-,38-/m0/s1
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n/an/a 0.712n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001461
PNG
(CHEMBL338466 | {23-[2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CC[C@@H](NC(=O)[C@H](NC1=O)C(C)C)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C43H61N9O11/c1-23(2)35-42(62)47-29(37(45)57)17-18-33(54)46-19-9-8-12-30(48-38(58)28(44)20-26-13-15-27(53)16-14-26)39(59)49-31(21-25-10-6-5-7-11-25)40(60)50-32(22-34(55)56)41(61)51-36(24(3)4)43(63)52-35/h5-7,10-11,13-16,23-24,28-32,35-36,53H,8-9,12,17-22,44H2,1-4H3,(H2,45,57)(H,46,54)(H,47,62)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,55,56)/t28-,29+,30+,31-,32+,35+,36-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001458
PNG
(3-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H56N8O10/c1-24(2)37(42(60)47-22-35(46)54)51-43(61)38(25(3)4)50-40(58)33(21-36(55)56)48-39(57)32(19-26-10-6-5-7-11-26)49-41(59)34-20-28-12-8-9-13-29(28)23-52(34)44(62)31(45)18-27-14-16-30(53)17-15-27/h5-17,24-25,31-34,37-38,53H,18-23,45H2,1-4H3,(H2,46,54)(H,47,60)(H,48,57)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/t31-,32-,33-,34-,37-,38-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001464
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26-,27+,30+,31+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001469
PNG
(15-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C40H57N9O9/c1-21(2)32-39(57)45-28(34(42)52)12-9-17-43-31(51)20-30(38(56)48-33(22(3)4)40(58)49-32)47-37(55)29(19-24-10-7-6-8-11-24)46-35(53)23(5)44-36(54)27(41)18-25-13-15-26(50)16-14-25/h6-8,10-11,13-16,21-23,27-30,32-33,50H,9,12,17-20,41H2,1-5H3,(H2,42,52)(H,43,51)(H,44,54)(H,45,57)(H,46,53)(H,47,55)(H,48,56)(H,49,58)/t23-,27+,28-,29+,30+,32-,33+/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001463
PNG
(14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34(40(58)45-22-32(43)52)50-41(59)35(24(3)4)49-38(56)30-17-18-33(53)44-19-9-8-12-29(46-36(54)28(42)20-26-13-15-27(51)16-14-26)37(55)48-31(39(57)47-30)21-25-10-6-5-7-11-25/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,52)(H,44,53)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)/t28-,29+,30-,31-,34-,35-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001456
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C46H66N10O10/c1-5-7-14-33(51-41(61)32(47)21-29-16-18-31(57)19-17-29)43(63)55-37(22-28-12-10-9-11-13-28)45(65)56-38(23-30-25-49-26-50-30)46(66)54-36(20-27(3)4)44(64)52-34(15-8-6-2)42(62)53-35(40(48)60)24-39(58)59/h9-13,16-19,25-27,32-38,57H,5-8,14-15,20-24,47H2,1-4H3,(H2,48,60)(H,49,50)(H,51,61)(H,52,64)(H,53,62)(H,54,66)(H,55,63)(H,56,65)(H,58,59)/t32-,33+,34-,35-,36-,37-,38-/m0/s1
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n/an/a 241n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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n/an/a 246n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001469
PNG
(15-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C40H57N9O9/c1-21(2)32-39(57)45-28(34(42)52)12-9-17-43-31(51)20-30(38(56)48-33(22(3)4)40(58)49-32)47-37(55)29(19-24-10-7-6-8-11-24)46-35(53)23(5)44-36(54)27(41)18-25-13-15-26(50)16-14-25/h6-8,10-11,13-16,21-23,27-30,32-33,50H,9,12,17-20,41H2,1-5H3,(H2,42,52)(H,43,51)(H,44,54)(H,45,57)(H,46,53)(H,47,55)(H,48,56)(H,49,58)/t23-,27+,28-,29+,30+,32-,33+/m1/s1
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n/an/a 251n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001462
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H52N8O10/c1-19(2)30(35(54)41-18-28(40)48)45-36(55)31(20(3)4)44-34(53)27(15-29(49)50)43-37(56)38(16-23-8-6-7-9-24(23)17-38)46-32(51)21(5)42-33(52)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-27,30-31,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t21-,26+,27+,30+,31+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001461
PNG
(CHEMBL338466 | {23-[2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CC[C@@H](NC(=O)[C@H](NC1=O)C(C)C)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C43H61N9O11/c1-23(2)35-42(62)47-29(37(45)57)17-18-33(54)46-19-9-8-12-30(48-38(58)28(44)20-26-13-15-27(53)16-14-26)39(59)49-31(21-25-10-6-5-7-11-25)40(60)50-32(22-34(55)56)41(61)51-36(24(3)4)43(63)52-35/h5-7,10-11,13-16,23-24,28-32,35-36,53H,8-9,12,17-22,44H2,1-4H3,(H2,45,57)(H,46,54)(H,47,62)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,55,56)/t28-,29+,30+,31-,32+,35+,36-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001460
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H52N8O10/c1-19(2)31(36(54)41-17-29(40)48)45-37(55)32(20(3)4)44-34(52)27(16-30(49)50)43-35(53)28-15-23-8-6-7-9-24(23)18-46(28)38(56)21(5)42-33(51)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-28,31-32,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,51)(H,43,53)(H,44,52)(H,45,55)(H,49,50)/t21-,26+,27+,28+,31+,32+/m1/s1
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n/an/a 481n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 854n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001457
PNG
(17-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34-40(58)47-29(36(43)54)12-8-9-19-44-32(52)18-17-30(38(56)49-35(24(3)4)41(59)50-34)48-39(57)31(21-25-10-6-5-7-11-25)46-33(53)22-45-37(55)28(42)20-26-13-15-27(51)16-14-26/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,58)(H,48,57)(H,49,56)(H,50,59)/t28-,29-,30+,31-,34-,35+/m0/s1
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n/an/a 919n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001459
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10/c1-20(2)31(36(55)42-19-29(41)49)46-37(56)32(21(3)4)45-35(54)28(17-30(50)51)44-38(57)39(15-14-24-8-6-7-9-25(24)18-39)47-33(52)22(5)43-34(53)27(40)16-23-10-12-26(48)13-11-23/h6-13,20-22,27-28,31-32,48H,14-19,40H2,1-5H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,57)(H,45,54)(H,46,56)(H,47,52)(H,50,51)/t22-,27+,28+,31+,32+,39?/m1/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001457
PNG
(17-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34-40(58)47-29(36(43)54)12-8-9-19-44-32(52)18-17-30(38(56)49-35(24(3)4)41(59)50-34)48-39(57)31(21-25-10-6-5-7-11-25)46-33(53)22-45-37(55)28(42)20-26-13-15-27(51)16-14-26/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,58)(H,48,57)(H,49,56)(H,50,59)/t28-,29-,30+,31-,34-,35+/m0/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000518
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
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n/an/a 4.42E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001466
PNG
(3-[2-(2-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C53H66N8O10/c1-4-5-20-40(48(66)57-41(47(55)65)30-46(63)64)56-49(67)42(25-32(2)3)58-50(68)43(27-33-14-8-6-9-15-33)59-51(69)44(28-34-16-10-7-11-17-34)60-52(70)45-29-36-18-12-13-19-37(36)31-61(45)53(71)39(54)26-35-21-23-38(62)24-22-35/h6-19,21-24,32,39-45,62H,4-5,20,25-31,54H2,1-3H3,(H2,55,65)(H,56,67)(H,57,66)(H,58,68)(H,59,69)(H,60,70)(H,63,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1
PDB

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KEGG

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n/an/a>1.00E+4n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001466
PNG
(3-[2-(2-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C53H66N8O10/c1-4-5-20-40(48(66)57-41(47(55)65)30-46(63)64)56-49(67)42(25-32(2)3)58-50(68)43(27-33-14-8-6-9-15-33)59-51(69)44(28-34-16-10-7-11-17-34)60-52(70)45-29-36-18-12-13-19-37(36)31-61(45)53(71)39(54)26-35-21-23-38(62)24-22-35/h6-19,21-24,32,39-45,62H,4-5,20,25-31,54H2,1-3H3,(H2,55,65)(H,56,67)(H,57,66)(H,58,68)(H,59,69)(H,60,70)(H,63,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001464
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26-,27+,30+,31+/m1/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001460
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H52N8O10/c1-19(2)31(36(54)41-17-29(40)48)45-37(55)32(20(3)4)44-34(52)27(16-30(49)50)43-35(53)28-15-23-8-6-7-9-24(23)18-46(28)38(56)21(5)42-33(51)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-28,31-32,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,51)(H,43,53)(H,44,52)(H,45,55)(H,49,50)/t21-,26+,27+,28+,31+,32+/m1/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001458
PNG
(3-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H56N8O10/c1-24(2)37(42(60)47-22-35(46)54)51-43(61)38(25(3)4)50-40(58)33(21-36(55)56)48-39(57)32(19-26-10-6-5-7-11-26)49-41(59)34-20-28-12-8-9-13-29(28)23-52(34)44(62)31(45)18-27-14-16-30(53)17-15-27/h5-17,24-25,31-34,37-38,53H,18-23,45H2,1-4H3,(H2,46,54)(H,47,60)(H,48,57)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/t31-,32-,33-,34-,37-,38-/m0/s1
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n/an/a>6.50E+4n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%